copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C28H12CuN12 — CID 3649007

About copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 3649007) has the molecular formula C28H12CuN12 and a molecular weight of 580.03 g/mol. Its IUPAC name is copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• PubChem CID: 3649007
• Molecular Formula: C28H12CuN12
• Molecular Weight: 580.03 g/mol
• Exact Mass: 579.06
• IUPAC Name: copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• SMILES: [Cu+2].c1cc2c(cn1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccncc41)-c1ccncc1-3)c1ccncc21
• InChI: InChI=1S/C28H12N12.Cu/c1-5-29-9-17-13(1)21-33-25(17)38-22-15-3-7-31-11-19(15)27(35-22)40-24-16-4-8-32-12-20(16)28(36-24)39-23-14-2-6-30-10-18(14)26(34-23)37-21;/h1-12H;/q-2;+2
• InChIKey: ZXRFVGQJWQSIPL-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 157.10 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.03
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The IUPAC name of copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 3649007) is copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

What is the SMILES notation for copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The canonical SMILES for copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is [Cu+2].c1cc2c(cn1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccncc41)-c1ccncc1-3)c1ccncc21.

What is the InChIKey of copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The InChIKey is ZXRFVGQJWQSIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12N12.Cu/c1-5-29-9-17-13(1)21-33-25(17)38-22-15-3-7-31-11-19(15)27(35-22)40-24-16-4-8-32-12-20(16)28(36-24)39-23-14-2-6-30-10-18(14)26(34-23)37-21;/h1-12H;/q-2;+2.

What are the key properties of copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 580.03 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 3649007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).